Exploring the potential of fluoro‐flavonoid derivatives as anti‐lung cancer agents: DFT, molecular docking, and molecular dynamics techniques
NJI Esha, ST Quayum, MZ Saif… - … Journal of Quantum …, 2024 - Wiley Online Library
The present investigation utilized in silico methodologies to explore the diverse
pharmacological activities, toxicity profiles, and chemical reactivity of a series of fluoro …
pharmacological activities, toxicity profiles, and chemical reactivity of a series of fluoro …
[HTML][HTML] Exploring the effectiveness of flavone derivatives for treating liver diseases: Utilizing DFT, molecular docking, and molecular dynamics techniques
In exploring nature's potential in addressing liver-related conditions, this study investigates
the therapeutic capabilities of flavonoids. Utilizing in silico methodologies, we focus on …
the therapeutic capabilities of flavonoids. Utilizing in silico methodologies, we focus on …
Exploring the anticancer and antibacterial potential of naphthoquinone derivatives: a comprehensive computational investigation
MH Meem, SB Yusuf, SS Al Abbad, S Rahman… - Frontiers in …, 2024 - frontiersin.org
This study investigates the potential of 2-(4-butylbenzyl)-3-hydroxynaphthalene-1, 4-dione
(11) and its 12 derivatives as anticancer and biofilm formation inhibitors for methicillin …
(11) and its 12 derivatives as anticancer and biofilm formation inhibitors for methicillin …
Evaluation of novel pyridoxal isonicotinoyl hydrazone (PIH) derivatives as potential anti‐tuberculosis agents: An in silico investigation
MS Hossain, SS Al Abbad… - … Journal of Quantum …, 2024 - Wiley Online Library
This investigation employed computational methodologies to assess the therapeutic
potential of derivatives (1–16) of pyridoxal isonicotinoyl hydrazone (PIH) as potential …
potential of derivatives (1–16) of pyridoxal isonicotinoyl hydrazone (PIH) as potential …
[HTML][HTML] Design, synthesis, and bioevaluation of novel unsaturated cyanoacetamide derivatives: In vitro and in silico exploration
In this study, we synthesized novel α, β-unsaturated 2-cyanoacetamide derivatives (1–5)
using microwave-assisted Knoevenagel condensation. Characterization of these …
using microwave-assisted Knoevenagel condensation. Characterization of these …
Investigating Baxdrostat and Its Derivatives as Aldosterone Synthase Inhibitors for Resistant Hypertension: An In Silico Approach
A Labiba, SS Al Abbad, S Rahman… - …, 2024 - Wiley Online Library
Resistant hypertension, a severe condition affecting about 10% of people with high blood
pressure, significantly increases the risk of heart, brain, and kidney issues. This study …
pressure, significantly increases the risk of heart, brain, and kidney issues. This study …
Organocatalytic Synthesis of (Hetero) arylidene Malononitriles Using a More Sustainable, Greener, and Scalable Strategy
S Johari, M Rafie Johan… - Current Organic …, 2024 - ingentaconnect.com
Aim and Objective: The establishment of a green and sustainable Knoevenagel
condensation reaction in organic chemistry is still crucial. This work aimed to provide a …
condensation reaction in organic chemistry is still crucial. This work aimed to provide a …